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. 2023 Mar 1;14(12):3235–3246. doi: 10.1039/d2sc06798f

The statistics of the reaction types in the Reaxys test set. The types are determined using NameRXN.

Occurrence N Criterion Reactions Top-1 exact acc., % Top-1 partial acc., %
Common 20 N > 1000 67 633 17.0 73.5
Frequent 67 100 < N ≤ 1000 23 685 16.2 65.1
Rare 120 10 < N ≤ 100 4219 13.5 60.3
Very rare 232 1 < N ≤ 10 947 14.2 53.1
Singular 245 N = 1 245 13.5 62.4